(2S)-1-[2-azanyl-3-(5-nitro-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-azanyl-3-(5-nitro-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-amino-3-(5-nitro-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[2-amino-3-(5-nitro-1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-amino-3-(5-nitro-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-amino-3-(5-nitro-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C16H17N5O3/c17-8-12-2-1-5-20(12)16(22)14(18)6-10-9-19-15-4-3-11(21(23)24)7-13(10)15/h3-4,7,9,12,14,19H,1-2,5-6,18H2/t12-,14?/m0/s1